3-butyl-7-[(4-chlorophenyl)methoxy]-4-methyl-chromen-2-one

Systemtic Name: 3-butyl-7-[(4-chlorophenyl)methoxy]-4-methyl-chromen-2-one Openeye Name: 3-butyl-7-[(4-chlorophenyl)methoxy]-4-methyl-chromen-2-one CAS Name: 3-butyl-7-[(4-chlorophenyl)methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-butyl-7-[(4-chlorophenyl)methoxy]-4-methylchromen-2-one Traditional Name: 3-butyl-7-(4-chlorobenzyl)oxy-4-methyl-coumarin Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)Cl)OC1=O)C

Isomeric SMILES

CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=C(C=C3)Cl)OC1=O)C

InChI

InChI=1S/C21H21ClO3/c1-3-4-5-19-14(2)18-11-10-17(12-20(18)25-21(19)23)24-13-15-6-8-16(22)9-7-15/h6-12H,3-5,13H2,1-2H3